USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 401 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 414 THR OG1 : rot 180:sc= -1.03 USER MOD Set 2.1: A 390 ASN : amide:sc= -0.216 K(o=-0.95,f=-5.1!) USER MOD Set 2.2: A 393 THR OG1 : rot 170:sc= -0.735 USER MOD Set 3.1: A 369 ASN : amide:sc= -9.06! C(o=-15!,f=-25!) USER MOD Set 3.2: A 436 GLN : amide:sc= -5.93! C(o=-15!,f=-15!) USER MOD Single : A 361 SER OG : rot 19:sc= 0.34 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.0097) USER MOD Single : A 371 SER OG : rot -50:sc= 0.0471 USER MOD Single : A 373 THR OG1 : rot 132:sc= -0.119 USER MOD Single : A 382 LYS NZ :NH3+ -127:sc= -0.223 (180deg=-1.09) USER MOD Single : A 383 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 384 CYS SG : rot -140:sc= -0.0776 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 MET CE :methyl 157:sc= -2.82! (180deg=-3.4) USER MOD Single : A 391 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0331) USER MOD Single : A 395 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.019) USER MOD Single : A 397 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 404 LYS NZ :NH3+ 148:sc= -0.617 (180deg=-1.88!) USER MOD Single : A 406 THR OG1 : rot -130:sc= -0.843 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 6:sc= -0.0596 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 SER OG : rot 180:sc=-0.00151 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.576 8.589 1.199 1.00 0.00 N ATOM 169 CA SER A 361 0.917 8.244 -0.176 1.00 0.00 C ATOM 170 C SER A 361 1.676 6.922 -0.232 1.00 0.00 C ATOM 171 O SER A 361 2.628 6.773 -1.000 1.00 0.00 O ATOM 172 CB SER A 361 1.756 9.355 -0.809 1.00 0.00 C ATOM 173 OG SER A 361 1.263 10.634 -0.448 1.00 0.00 O ATOM 0 HA SER A 361 -0.010 8.134 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 361 2.794 9.258 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 361 1.745 9.250 -1.894 1.00 0.00 H new ATOM 0 HG SER A 361 0.693 10.553 0.345 1.00 0.00 H new ATOM 179 N ALA A 362 1.249 5.966 0.585 1.00 0.00 N ATOM 180 CA ALA A 362 1.887 4.656 0.628 1.00 0.00 C ATOM 181 C ALA A 362 0.855 3.548 0.808 1.00 0.00 C ATOM 182 O ALA A 362 -0.240 3.785 1.320 1.00 0.00 O ATOM 183 CB ALA A 362 2.917 4.606 1.746 1.00 0.00 C ATOM 0 H ALA A 362 0.463 6.074 1.227 1.00 0.00 H new ATOM 0 HA ALA A 362 2.393 4.495 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.385 3.622 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.679 5.367 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.427 4.794 2.701 1.00 0.00 H new ATOM 189 N ILE A 363 1.209 2.340 0.384 1.00 0.00 N ATOM 190 CA ILE A 363 0.313 1.196 0.500 1.00 0.00 C ATOM 191 C ILE A 363 1.012 0.016 1.166 1.00 0.00 C ATOM 192 O ILE A 363 2.192 -0.236 0.926 1.00 0.00 O ATOM 193 CB ILE A 363 -0.216 0.754 -0.877 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.945 0.372 -1.796 1.00 0.00 C ATOM 195 CG2 ILE A 363 -1.051 1.862 -1.503 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.537 -0.519 -2.948 1.00 0.00 C ATOM 0 H ILE A 363 2.111 2.128 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.527 1.514 1.118 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.850 -0.122 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.397 1.281 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.711 -0.135 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.418 1.535 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.896 2.091 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.437 2.754 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.411 -0.749 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 363 0.112 -1.444 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.206 -0.007 -3.559 1.00 0.00 H new ATOM 208 N TYR A 364 0.273 -0.705 2.003 1.00 0.00 N ATOM 209 CA TYR A 364 0.821 -1.860 2.704 1.00 0.00 C ATOM 210 C TYR A 364 0.345 -3.161 2.066 1.00 0.00 C ATOM 211 O TYR A 364 -0.836 -3.502 2.132 1.00 0.00 O ATOM 212 CB TYR A 364 0.420 -1.825 4.180 1.00 0.00 C ATOM 213 CG TYR A 364 1.397 -2.531 5.091 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.323 -3.903 5.292 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.397 -1.826 5.749 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.214 -4.553 6.125 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.293 -2.467 6.582 1.00 0.00 C ATOM 218 CZ TYR A 364 3.198 -3.830 6.768 1.00 0.00 C ATOM 219 OH TYR A 364 4.088 -4.474 7.596 1.00 0.00 O ATOM 0 H TYR A 364 -0.706 -0.510 2.212 1.00 0.00 H new ATOM 0 HA TYR A 364 1.908 -1.817 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.326 -0.786 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.563 -2.283 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.556 -4.472 4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.475 -0.758 5.607 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.141 -5.620 6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 364 4.065 -1.903 7.085 1.00 0.00 H new ATOM 0 HH TYR A 364 4.717 -3.822 7.970 1.00 0.00 H new ATOM 229 N VAL A 365 1.274 -3.886 1.450 1.00 0.00 N ATOM 230 CA VAL A 365 0.951 -5.151 0.802 1.00 0.00 C ATOM 231 C VAL A 365 1.282 -6.333 1.708 1.00 0.00 C ATOM 232 O VAL A 365 2.315 -6.343 2.377 1.00 0.00 O ATOM 233 CB VAL A 365 1.711 -5.310 -0.528 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.137 -6.463 -1.337 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.665 -4.015 -1.325 1.00 0.00 C ATOM 0 H VAL A 365 2.256 -3.618 1.386 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.120 -5.139 0.601 1.00 0.00 H new ATOM 0 HB VAL A 365 2.754 -5.537 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.687 -6.560 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.226 -7.388 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.086 -6.269 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.207 -4.145 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.628 -3.756 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.127 -3.215 -0.746 1.00 0.00 H new ATOM 245 N GLN A 366 0.398 -7.325 1.722 1.00 0.00 N ATOM 246 CA GLN A 366 0.597 -8.512 2.546 1.00 0.00 C ATOM 247 C GLN A 366 0.058 -9.757 1.847 1.00 0.00 C ATOM 248 O GLN A 366 -1.126 -9.836 1.524 1.00 0.00 O ATOM 249 CB GLN A 366 -0.090 -8.337 3.902 1.00 0.00 C ATOM 250 CG GLN A 366 0.721 -7.518 4.893 1.00 0.00 C ATOM 251 CD GLN A 366 -0.091 -7.091 6.099 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.069 -7.634 7.193 1.00 0.00 O ATOM 253 NE2 GLN A 366 -0.968 -6.113 5.908 1.00 0.00 N ATOM 0 H GLN A 366 -0.462 -7.331 1.173 1.00 0.00 H new ATOM 0 HA GLN A 366 1.668 -8.640 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -1.057 -7.856 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.286 -9.320 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.579 -8.103 5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 366 1.113 -6.633 4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.068 -5.691 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.542 -5.784 6.684 1.00 0.00 H new ATOM 262 N GLY A 367 0.938 -10.726 1.615 1.00 0.00 N ATOM 263 CA GLY A 367 0.532 -11.953 0.956 1.00 0.00 C ATOM 264 C GLY A 367 1.436 -12.314 -0.206 1.00 0.00 C ATOM 265 O GLY A 367 1.076 -13.133 -1.052 1.00 0.00 O ATOM 0 H GLY A 367 1.924 -10.683 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.533 -12.768 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.492 -11.847 0.597 1.00 0.00 H new ATOM 269 N LEU A 368 2.613 -11.700 -0.250 1.00 0.00 N ATOM 270 CA LEU A 368 3.572 -11.958 -1.319 1.00 0.00 C ATOM 271 C LEU A 368 4.243 -13.315 -1.131 1.00 0.00 C ATOM 272 O LEU A 368 4.326 -13.828 -0.016 1.00 0.00 O ATOM 273 CB LEU A 368 4.630 -10.854 -1.359 1.00 0.00 C ATOM 274 CG LEU A 368 4.133 -9.462 -1.752 1.00 0.00 C ATOM 275 CD1 LEU A 368 5.235 -8.431 -1.569 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.632 -9.461 -3.190 1.00 0.00 C ATOM 0 H LEU A 368 2.927 -11.020 0.442 1.00 0.00 H new ATOM 0 HA LEU A 368 3.031 -11.968 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.094 -10.788 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.410 -11.151 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 368 3.302 -9.195 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.863 -7.447 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.547 -8.413 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 368 6.086 -8.693 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.282 -8.463 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.444 -9.749 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.811 -10.171 -3.290 1.00 0.00 H new ATOM 288 N ASN A 369 4.724 -13.889 -2.229 1.00 0.00 N ATOM 289 CA ASN A 369 5.390 -15.185 -2.186 1.00 0.00 C ATOM 290 C ASN A 369 6.795 -15.056 -1.607 1.00 0.00 C ATOM 291 O ASN A 369 7.225 -13.965 -1.230 1.00 0.00 O ATOM 292 CB ASN A 369 5.458 -15.794 -3.587 1.00 0.00 C ATOM 293 CG ASN A 369 6.131 -14.873 -4.586 1.00 0.00 C ATOM 294 OD1 ASN A 369 7.354 -14.870 -4.718 1.00 0.00 O ATOM 295 ND2 ASN A 369 5.332 -14.086 -5.297 1.00 0.00 N ATOM 0 H ASN A 369 4.665 -13.476 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 369 4.809 -15.842 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.001 -16.738 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.449 -16.023 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 369 5.728 -13.446 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.323 -14.122 -5.155 1.00 0.00 H new ATOM 302 N ASP A 370 7.507 -16.175 -1.541 1.00 0.00 N ATOM 303 CA ASP A 370 8.866 -16.187 -1.010 1.00 0.00 C ATOM 304 C ASP A 370 9.885 -15.956 -2.120 1.00 0.00 C ATOM 305 O ASP A 370 11.093 -15.999 -1.887 1.00 0.00 O ATOM 306 CB ASP A 370 9.150 -17.515 -0.307 1.00 0.00 C ATOM 307 CG ASP A 370 8.447 -18.684 -0.972 1.00 0.00 C ATOM 308 OD1 ASP A 370 8.506 -18.782 -2.216 1.00 0.00 O ATOM 309 OD2 ASP A 370 7.840 -19.500 -0.248 1.00 0.00 O ATOM 0 H ASP A 370 7.166 -17.086 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 370 8.954 -15.376 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 370 10.225 -17.697 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 370 8.832 -17.447 0.733 1.00 0.00 H new ATOM 314 N SER A 371 9.391 -15.712 -3.330 1.00 0.00 N ATOM 315 CA SER A 371 10.258 -15.480 -4.479 1.00 0.00 C ATOM 316 C SER A 371 9.990 -14.111 -5.094 1.00 0.00 C ATOM 317 O SER A 371 10.383 -13.839 -6.229 1.00 0.00 O ATOM 318 CB SER A 371 10.054 -16.573 -5.530 1.00 0.00 C ATOM 319 OG SER A 371 11.189 -16.692 -6.370 1.00 0.00 O ATOM 0 H SER A 371 8.394 -15.670 -3.540 1.00 0.00 H new ATOM 0 HA SER A 371 11.291 -15.508 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 371 9.862 -17.525 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 371 9.175 -16.343 -6.132 1.00 0.00 H new ATOM 0 HG SER A 371 11.440 -15.807 -6.708 1.00 0.00 H new ATOM 325 N VAL A 372 9.317 -13.250 -4.337 1.00 0.00 N ATOM 326 CA VAL A 372 8.995 -11.907 -4.807 1.00 0.00 C ATOM 327 C VAL A 372 10.214 -10.994 -4.738 1.00 0.00 C ATOM 328 O VAL A 372 10.929 -10.968 -3.735 1.00 0.00 O ATOM 329 CB VAL A 372 7.853 -11.283 -3.983 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.329 -10.948 -2.578 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.308 -10.046 -4.680 1.00 0.00 C ATOM 0 H VAL A 372 8.984 -13.458 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 372 8.674 -12.003 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 372 7.046 -12.012 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.508 -10.508 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.666 -11.858 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 372 9.154 -10.238 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.502 -9.618 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 372 8.105 -9.311 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.926 -10.321 -5.663 1.00 0.00 H new ATOM 341 N THR A 373 10.447 -10.245 -5.810 1.00 0.00 N ATOM 342 CA THR A 373 11.581 -9.331 -5.873 1.00 0.00 C ATOM 343 C THR A 373 11.115 -7.888 -6.034 1.00 0.00 C ATOM 344 O THR A 373 10.023 -7.631 -6.543 1.00 0.00 O ATOM 345 CB THR A 373 12.526 -9.686 -7.037 1.00 0.00 C ATOM 346 OG1 THR A 373 11.826 -9.590 -8.282 1.00 0.00 O ATOM 347 CG2 THR A 373 13.085 -11.090 -6.870 1.00 0.00 C ATOM 0 H THR A 373 9.865 -10.253 -6.648 1.00 0.00 H new ATOM 0 HA THR A 373 12.122 -9.433 -4.932 1.00 0.00 H new ATOM 0 HB THR A 373 13.356 -8.979 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 373 12.363 -9.075 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.749 -11.319 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.642 -11.151 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.265 -11.808 -6.852 1.00 0.00 H new ATOM 355 N LEU A 374 11.949 -6.951 -5.597 1.00 0.00 N ATOM 356 CA LEU A 374 11.622 -5.532 -5.693 1.00 0.00 C ATOM 357 C LEU A 374 11.186 -5.169 -7.109 1.00 0.00 C ATOM 358 O LEU A 374 10.049 -4.752 -7.330 1.00 0.00 O ATOM 359 CB LEU A 374 12.827 -4.682 -5.285 1.00 0.00 C ATOM 360 CG LEU A 374 12.789 -3.215 -5.712 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.871 -2.417 -4.799 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.191 -2.624 -5.712 1.00 0.00 C ATOM 0 H LEU A 374 12.856 -7.147 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 374 10.794 -5.328 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 374 12.923 -4.721 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.725 -5.138 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 374 12.394 -3.161 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.857 -1.375 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.862 -2.826 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.236 -2.477 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.145 -1.579 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.614 -2.690 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.820 -3.179 -6.408 1.00 0.00 H new ATOM 374 N ASP A 375 12.094 -5.331 -8.064 1.00 0.00 N ATOM 375 CA ASP A 375 11.803 -5.024 -9.458 1.00 0.00 C ATOM 376 C ASP A 375 10.460 -5.616 -9.876 1.00 0.00 C ATOM 377 O ASP A 375 9.708 -5.001 -10.632 1.00 0.00 O ATOM 378 CB ASP A 375 12.914 -5.556 -10.364 1.00 0.00 C ATOM 379 CG ASP A 375 12.926 -7.070 -10.435 1.00 0.00 C ATOM 380 OD1 ASP A 375 12.182 -7.631 -11.265 1.00 0.00 O ATOM 381 OD2 ASP A 375 13.681 -7.695 -9.660 1.00 0.00 O ATOM 0 H ASP A 375 13.040 -5.674 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 375 11.750 -3.940 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 375 12.787 -5.149 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 375 13.878 -5.204 -9.997 1.00 0.00 H new ATOM 386 N ASP A 376 10.169 -6.814 -9.381 1.00 0.00 N ATOM 387 CA ASP A 376 8.918 -7.490 -9.703 1.00 0.00 C ATOM 388 C ASP A 376 7.730 -6.762 -9.081 1.00 0.00 C ATOM 389 O ASP A 376 6.620 -6.794 -9.613 1.00 0.00 O ATOM 390 CB ASP A 376 8.956 -8.940 -9.214 1.00 0.00 C ATOM 391 CG ASP A 376 9.577 -9.877 -10.231 1.00 0.00 C ATOM 392 OD1 ASP A 376 10.367 -9.399 -11.073 1.00 0.00 O ATOM 393 OD2 ASP A 376 9.276 -11.087 -10.184 1.00 0.00 O ATOM 0 H ASP A 376 10.782 -7.337 -8.756 1.00 0.00 H new ATOM 0 HA ASP A 376 8.799 -7.483 -10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.521 -8.992 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 376 7.942 -9.272 -8.990 1.00 0.00 H new ATOM 398 N LEU A 377 7.972 -6.108 -7.950 1.00 0.00 N ATOM 399 CA LEU A 377 6.922 -5.371 -7.254 1.00 0.00 C ATOM 400 C LEU A 377 6.808 -3.948 -7.790 1.00 0.00 C ATOM 401 O LEU A 377 5.735 -3.345 -7.756 1.00 0.00 O ATOM 402 CB LEU A 377 7.204 -5.341 -5.750 1.00 0.00 C ATOM 403 CG LEU A 377 6.982 -6.654 -5.000 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.273 -6.478 -3.518 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.560 -7.154 -5.209 1.00 0.00 C ATOM 0 H LEU A 377 8.885 -6.073 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 377 5.976 -5.882 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.238 -5.031 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.573 -4.576 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 377 7.671 -7.399 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 377 7.109 -7.423 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.309 -6.166 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.609 -5.718 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.420 -8.090 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.855 -6.411 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.385 -7.320 -6.272 1.00 0.00 H new ATOM 417 N ALA A 378 7.920 -3.416 -8.286 1.00 0.00 N ATOM 418 CA ALA A 378 7.944 -2.067 -8.834 1.00 0.00 C ATOM 419 C ALA A 378 7.233 -2.008 -10.182 1.00 0.00 C ATOM 420 O ALA A 378 6.469 -1.081 -10.452 1.00 0.00 O ATOM 421 CB ALA A 378 9.378 -1.577 -8.969 1.00 0.00 C ATOM 0 H ALA A 378 8.817 -3.900 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 378 7.412 -1.412 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.380 -0.567 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.854 -1.571 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 378 9.928 -2.241 -9.635 1.00 0.00 H new ATOM 427 N ASP A 379 7.491 -3.002 -11.024 1.00 0.00 N ATOM 428 CA ASP A 379 6.875 -3.063 -12.345 1.00 0.00 C ATOM 429 C ASP A 379 5.413 -3.491 -12.243 1.00 0.00 C ATOM 430 O ASP A 379 4.630 -3.286 -13.171 1.00 0.00 O ATOM 431 CB ASP A 379 7.642 -4.034 -13.244 1.00 0.00 C ATOM 432 CG ASP A 379 7.362 -3.804 -14.716 1.00 0.00 C ATOM 433 OD1 ASP A 379 7.931 -2.849 -15.286 1.00 0.00 O ATOM 434 OD2 ASP A 379 6.574 -4.578 -15.297 1.00 0.00 O ATOM 0 H ASP A 379 8.122 -3.776 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 379 6.914 -2.066 -12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.711 -3.928 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.373 -5.057 -12.982 1.00 0.00 H new ATOM 439 N PHE A 380 5.054 -4.087 -11.112 1.00 0.00 N ATOM 440 CA PHE A 380 3.687 -4.545 -10.890 1.00 0.00 C ATOM 441 C PHE A 380 2.861 -3.473 -10.187 1.00 0.00 C ATOM 442 O PHE A 380 1.737 -3.173 -10.591 1.00 0.00 O ATOM 443 CB PHE A 380 3.686 -5.831 -10.061 1.00 0.00 C ATOM 444 CG PHE A 380 2.313 -6.275 -9.644 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.383 -6.674 -10.589 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.953 -6.291 -8.306 1.00 0.00 C ATOM 447 CE1 PHE A 380 0.119 -7.083 -10.208 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.691 -6.699 -7.918 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.228 -7.095 -8.871 1.00 0.00 C ATOM 0 H PHE A 380 5.690 -4.265 -10.335 1.00 0.00 H new ATOM 0 HA PHE A 380 3.236 -4.747 -11.862 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.156 -6.627 -10.639 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.296 -5.680 -9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.648 -6.666 -11.636 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.667 -5.981 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.597 -7.393 -10.955 1.00 0.00 H new ATOM 0 HE2 PHE A 380 0.423 -6.708 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.216 -7.413 -8.571 1.00 0.00 H new ATOM 459 N PHE A 381 3.425 -2.898 -9.130 1.00 0.00 N ATOM 460 CA PHE A 381 2.741 -1.859 -8.368 1.00 0.00 C ATOM 461 C PHE A 381 2.572 -0.594 -9.204 1.00 0.00 C ATOM 462 O PHE A 381 1.653 0.194 -8.979 1.00 0.00 O ATOM 463 CB PHE A 381 3.519 -1.539 -7.090 1.00 0.00 C ATOM 464 CG PHE A 381 3.302 -2.540 -5.990 1.00 0.00 C ATOM 465 CD1 PHE A 381 2.020 -2.896 -5.601 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.380 -3.125 -5.346 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.818 -3.816 -4.591 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.183 -4.047 -4.334 1.00 0.00 C ATOM 469 CZ PHE A 381 2.901 -4.391 -3.956 1.00 0.00 C ATOM 0 H PHE A 381 4.354 -3.134 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 381 1.752 -2.231 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.583 -1.492 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.227 -0.551 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.169 -2.449 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.385 -2.858 -5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.814 -4.085 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 381 5.031 -4.497 -3.840 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.745 -5.109 -3.165 1.00 0.00 H new ATOM 479 N LYS A 382 3.466 -0.406 -10.169 1.00 0.00 N ATOM 480 CA LYS A 382 3.418 0.762 -11.040 1.00 0.00 C ATOM 481 C LYS A 382 2.247 0.667 -12.013 1.00 0.00 C ATOM 482 O LYS A 382 1.934 1.628 -12.716 1.00 0.00 O ATOM 483 CB LYS A 382 4.729 0.901 -11.816 1.00 0.00 C ATOM 484 CG LYS A 382 4.910 -0.150 -12.897 1.00 0.00 C ATOM 485 CD LYS A 382 5.959 0.269 -13.913 1.00 0.00 C ATOM 486 CE LYS A 382 7.313 0.490 -13.257 1.00 0.00 C ATOM 487 NZ LYS A 382 7.486 1.896 -12.799 1.00 0.00 N ATOM 0 H LYS A 382 4.233 -1.048 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 382 3.278 1.644 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.768 1.890 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.563 0.839 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.202 -1.096 -12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.960 -0.320 -13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.047 -0.497 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 382 5.640 1.185 -14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 382 7.419 -0.184 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 382 8.104 0.239 -13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 8.371 2.281 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 6.685 2.470 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 7.523 1.921 -11.760 1.00 0.00 H new ATOM 501 N GLN A 383 1.604 -0.496 -12.046 1.00 0.00 N ATOM 502 CA GLN A 383 0.468 -0.714 -12.932 1.00 0.00 C ATOM 503 C GLN A 383 -0.571 0.392 -12.770 1.00 0.00 C ATOM 504 O GLN A 383 -0.997 1.005 -13.751 1.00 0.00 O ATOM 505 CB GLN A 383 -0.173 -2.075 -12.651 1.00 0.00 C ATOM 506 CG GLN A 383 0.468 -3.219 -13.420 1.00 0.00 C ATOM 507 CD GLN A 383 -0.457 -4.410 -13.571 1.00 0.00 C ATOM 508 OE1 GLN A 383 -0.668 -4.911 -14.677 1.00 0.00 O ATOM 509 NE2 GLN A 383 -1.014 -4.873 -12.458 1.00 0.00 N ATOM 0 H GLN A 383 1.851 -1.301 -11.470 1.00 0.00 H new ATOM 0 HA GLN A 383 0.834 -0.697 -13.959 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.108 -2.284 -11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.232 -2.027 -12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.765 -2.867 -14.408 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.377 -3.532 -12.907 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.812 -4.428 -11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -1.644 -5.674 -12.498 1.00 0.00 H new ATOM 518 N CYS A 384 -0.972 0.642 -11.530 1.00 0.00 N ATOM 519 CA CYS A 384 -1.961 1.674 -11.240 1.00 0.00 C ATOM 520 C CYS A 384 -1.460 3.046 -11.679 1.00 0.00 C ATOM 521 O CYS A 384 -2.021 3.663 -12.583 1.00 0.00 O ATOM 522 CB CYS A 384 -2.289 1.691 -9.745 1.00 0.00 C ATOM 523 SG CYS A 384 -3.422 3.011 -9.253 1.00 0.00 S ATOM 0 H CYS A 384 -0.628 0.145 -10.709 1.00 0.00 H new ATOM 0 HA CYS A 384 -2.867 1.442 -11.800 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.725 0.731 -9.469 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.362 1.794 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 384 -3.040 3.509 -8.115 1.00 0.00 H new ATOM 529 N GLY A 385 -0.401 3.519 -11.029 1.00 0.00 N ATOM 530 CA GLY A 385 0.157 4.816 -11.365 1.00 0.00 C ATOM 531 C GLY A 385 1.669 4.787 -11.473 1.00 0.00 C ATOM 532 O GLY A 385 2.230 3.970 -12.203 1.00 0.00 O ATOM 0 H GLY A 385 0.080 3.027 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.265 5.156 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.136 5.542 -10.606 1.00 0.00 H new ATOM 536 N VAL A 386 2.330 5.680 -10.745 1.00 0.00 N ATOM 537 CA VAL A 386 3.786 5.754 -10.763 1.00 0.00 C ATOM 538 C VAL A 386 4.361 5.607 -9.359 1.00 0.00 C ATOM 539 O VAL A 386 3.952 6.308 -8.433 1.00 0.00 O ATOM 540 CB VAL A 386 4.274 7.084 -11.369 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.788 7.191 -11.276 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.810 7.213 -12.812 1.00 0.00 C ATOM 0 H VAL A 386 1.881 6.363 -10.135 1.00 0.00 H new ATOM 0 HA VAL A 386 4.137 4.930 -11.385 1.00 0.00 H new ATOM 0 HB VAL A 386 3.841 7.904 -10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.113 8.137 -11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 386 6.092 7.147 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.245 6.366 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.163 8.158 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.213 6.388 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.721 7.186 -12.848 1.00 0.00 H new ATOM 552 N VAL A 387 5.314 4.693 -9.208 1.00 0.00 N ATOM 553 CA VAL A 387 5.947 4.454 -7.917 1.00 0.00 C ATOM 554 C VAL A 387 7.076 5.449 -7.667 1.00 0.00 C ATOM 555 O VAL A 387 8.014 5.552 -8.458 1.00 0.00 O ATOM 556 CB VAL A 387 6.509 3.023 -7.822 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.217 2.814 -6.493 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.396 2.002 -8.008 1.00 0.00 C ATOM 0 H VAL A 387 5.665 4.106 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 387 5.176 4.584 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 387 7.238 2.884 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.607 1.797 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 387 8.040 3.523 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.512 2.971 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.810 0.996 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.643 2.139 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 387 4.937 2.138 -8.987 1.00 0.00 H new ATOM 568 N LYS A 388 6.979 6.178 -6.561 1.00 0.00 N ATOM 569 CA LYS A 388 7.992 7.164 -6.203 1.00 0.00 C ATOM 570 C LYS A 388 9.394 6.575 -6.333 1.00 0.00 C ATOM 571 O LYS A 388 9.799 5.733 -5.533 1.00 0.00 O ATOM 572 CB LYS A 388 7.767 7.662 -4.774 1.00 0.00 C ATOM 573 CG LYS A 388 8.594 8.887 -4.420 1.00 0.00 C ATOM 574 CD LYS A 388 7.903 9.740 -3.369 1.00 0.00 C ATOM 575 CE LYS A 388 8.715 10.982 -3.038 1.00 0.00 C ATOM 576 NZ LYS A 388 7.949 11.937 -2.190 1.00 0.00 N ATOM 0 H LYS A 388 6.209 6.105 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 388 7.904 8.004 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.711 7.896 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.005 6.859 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.571 8.574 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.767 9.482 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.917 10.034 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.751 9.152 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 388 9.629 10.691 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 388 9.015 11.477 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.538 12.770 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.089 12.235 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.685 11.474 -1.297 1.00 0.00 H new ATOM 590 N MET A 389 10.130 7.025 -7.344 1.00 0.00 N ATOM 591 CA MET A 389 11.487 6.545 -7.575 1.00 0.00 C ATOM 592 C MET A 389 12.513 7.594 -7.160 1.00 0.00 C ATOM 593 O MET A 389 12.480 8.729 -7.632 1.00 0.00 O ATOM 594 CB MET A 389 11.678 6.183 -9.050 1.00 0.00 C ATOM 595 CG MET A 389 11.079 4.838 -9.427 1.00 0.00 C ATOM 596 SD MET A 389 11.926 4.067 -10.820 1.00 0.00 S ATOM 597 CE MET A 389 13.463 3.568 -10.047 1.00 0.00 C ATOM 0 H MET A 389 9.809 7.722 -8.016 1.00 0.00 H new ATOM 0 HA MET A 389 11.639 5.654 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.226 6.959 -9.668 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.744 6.174 -9.279 1.00 0.00 H new ATOM 0 HG2 MET A 389 11.122 4.171 -8.566 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.026 4.970 -9.675 1.00 0.00 H new ATOM 0 HE1 MET A 389 13.908 2.752 -10.616 1.00 0.00 H new ATOM 0 HE2 MET A 389 14.151 4.413 -10.026 1.00 0.00 H new ATOM 0 HE3 MET A 389 13.266 3.235 -9.028 1.00 0.00 H new ATOM 607 N ASN A 390 13.424 7.205 -6.273 1.00 0.00 N ATOM 608 CA ASN A 390 14.459 8.113 -5.794 1.00 0.00 C ATOM 609 C ASN A 390 15.179 8.782 -6.961 1.00 0.00 C ATOM 610 O ASN A 390 15.396 8.168 -8.006 1.00 0.00 O ATOM 611 CB ASN A 390 15.467 7.357 -4.924 1.00 0.00 C ATOM 612 CG ASN A 390 16.115 8.249 -3.883 1.00 0.00 C ATOM 613 OD1 ASN A 390 16.128 9.472 -4.019 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.656 7.638 -2.835 1.00 0.00 N ATOM 0 H ASN A 390 13.466 6.268 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 390 13.979 8.887 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.964 6.528 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.240 6.925 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 390 17.106 8.186 -2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.622 6.621 -2.764 1.00 0.00 H new ATOM 621 N LYS A 391 15.548 10.045 -6.775 1.00 0.00 N ATOM 622 CA LYS A 391 16.245 10.799 -7.811 1.00 0.00 C ATOM 623 C LYS A 391 17.756 10.732 -7.607 1.00 0.00 C ATOM 624 O LYS A 391 18.526 11.174 -8.461 1.00 0.00 O ATOM 625 CB LYS A 391 15.784 12.258 -7.807 1.00 0.00 C ATOM 626 CG LYS A 391 14.575 12.516 -8.690 1.00 0.00 C ATOM 627 CD LYS A 391 14.943 12.475 -10.164 1.00 0.00 C ATOM 628 CE LYS A 391 15.683 13.735 -10.589 1.00 0.00 C ATOM 629 NZ LYS A 391 14.763 14.898 -10.725 1.00 0.00 N ATOM 0 H LYS A 391 15.376 10.568 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 391 16.005 10.352 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 391 15.546 12.552 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 391 16.607 12.891 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 391 13.807 11.770 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 391 14.147 13.489 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 391 15.566 11.602 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 391 14.039 12.363 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 391 16.456 13.967 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 391 16.187 13.557 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 15.276 15.699 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 13.964 14.639 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 14.405 15.169 -9.787 1.00 0.00 H new ATOM 643 N ARG A 392 18.172 10.178 -6.474 1.00 0.00 N ATOM 644 CA ARG A 392 19.591 10.052 -6.161 1.00 0.00 C ATOM 645 C ARG A 392 20.077 8.625 -6.395 1.00 0.00 C ATOM 646 O ARG A 392 21.131 8.406 -6.992 1.00 0.00 O ATOM 647 CB ARG A 392 19.851 10.460 -4.709 1.00 0.00 C ATOM 648 CG ARG A 392 21.305 10.322 -4.290 1.00 0.00 C ATOM 649 CD ARG A 392 21.479 10.551 -2.796 1.00 0.00 C ATOM 650 NE ARG A 392 21.659 11.964 -2.476 1.00 0.00 N ATOM 651 CZ ARG A 392 21.648 12.445 -1.238 1.00 0.00 C ATOM 652 NH1 ARG A 392 21.469 11.629 -0.208 1.00 0.00 N ATOM 653 NH2 ARG A 392 21.819 13.744 -1.027 1.00 0.00 N ATOM 0 H ARG A 392 17.547 9.809 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 392 20.144 10.717 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 392 19.538 11.495 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.233 9.848 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 392 21.667 9.328 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 392 21.913 11.038 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 392 20.607 10.168 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 392 22.341 9.986 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 392 21.801 12.618 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 392 21.339 10.630 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 392 21.461 12.001 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 392 21.959 14.375 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 392 21.810 14.112 -0.076 1.00 0.00 H new ATOM 667 N THR A 393 19.300 7.656 -5.921 1.00 0.00 N ATOM 668 CA THR A 393 19.651 6.251 -6.076 1.00 0.00 C ATOM 669 C THR A 393 18.963 5.643 -7.293 1.00 0.00 C ATOM 670 O THR A 393 19.412 4.633 -7.833 1.00 0.00 O ATOM 671 CB THR A 393 19.273 5.435 -4.825 1.00 0.00 C ATOM 672 OG1 THR A 393 17.926 5.732 -4.436 1.00 0.00 O ATOM 673 CG2 THR A 393 20.219 5.739 -3.674 1.00 0.00 C ATOM 0 H THR A 393 18.423 7.819 -5.426 1.00 0.00 H new ATOM 0 HA THR A 393 20.731 6.209 -6.214 1.00 0.00 H new ATOM 0 HB THR A 393 19.355 4.376 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.638 5.099 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.932 5.151 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 393 21.238 5.484 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 393 20.166 6.800 -3.430 1.00 0.00 H new ATOM 681 N GLY A 394 17.868 6.266 -7.720 1.00 0.00 N ATOM 682 CA GLY A 394 17.135 5.772 -8.871 1.00 0.00 C ATOM 683 C GLY A 394 16.399 4.479 -8.579 1.00 0.00 C ATOM 684 O GLY A 394 16.097 3.711 -9.492 1.00 0.00 O ATOM 0 H GLY A 394 17.476 7.103 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.420 6.528 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.827 5.614 -9.698 1.00 0.00 H new ATOM 688 N GLN A 395 16.113 4.239 -7.304 1.00 0.00 N ATOM 689 CA GLN A 395 15.411 3.028 -6.895 1.00 0.00 C ATOM 690 C GLN A 395 14.015 3.357 -6.373 1.00 0.00 C ATOM 691 O GLN A 395 13.759 4.448 -5.863 1.00 0.00 O ATOM 692 CB GLN A 395 16.209 2.288 -5.820 1.00 0.00 C ATOM 693 CG GLN A 395 17.640 1.980 -6.229 1.00 0.00 C ATOM 694 CD GLN A 395 18.199 0.761 -5.522 1.00 0.00 C ATOM 695 OE1 GLN A 395 19.217 0.839 -4.834 1.00 0.00 O ATOM 696 NE2 GLN A 395 17.534 -0.377 -5.690 1.00 0.00 N ATOM 0 H GLN A 395 16.356 4.866 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 395 15.310 2.385 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.221 2.888 -4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.700 1.355 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 395 17.680 1.820 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.270 2.842 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 395 16.694 -0.396 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 395 17.863 -1.231 -5.240 1.00 0.00 H new ATOM 705 N PRO A 396 13.092 2.394 -6.503 1.00 0.00 N ATOM 706 CA PRO A 396 11.707 2.558 -6.050 1.00 0.00 C ATOM 707 C PRO A 396 11.595 2.598 -4.530 1.00 0.00 C ATOM 708 O PRO A 396 12.390 1.977 -3.824 1.00 0.00 O ATOM 709 CB PRO A 396 11.003 1.319 -6.608 1.00 0.00 C ATOM 710 CG PRO A 396 12.082 0.303 -6.752 1.00 0.00 C ATOM 711 CD PRO A 396 13.327 1.069 -7.101 1.00 0.00 C ATOM 0 HA PRO A 396 11.275 3.499 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.220 0.972 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.529 1.531 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.215 -0.258 -5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.837 -0.419 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.219 0.595 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.469 1.135 -8.180 1.00 0.00 H new ATOM 719 N MET A 397 10.603 3.329 -4.033 1.00 0.00 N ATOM 720 CA MET A 397 10.388 3.447 -2.595 1.00 0.00 C ATOM 721 C MET A 397 9.611 2.246 -2.063 1.00 0.00 C ATOM 722 O MET A 397 8.733 2.391 -1.211 1.00 0.00 O ATOM 723 CB MET A 397 9.633 4.739 -2.275 1.00 0.00 C ATOM 724 CG MET A 397 10.402 5.997 -2.646 1.00 0.00 C ATOM 725 SD MET A 397 11.456 6.588 -1.307 1.00 0.00 S ATOM 726 CE MET A 397 13.065 6.526 -2.092 1.00 0.00 C ATOM 0 H MET A 397 9.936 3.848 -4.604 1.00 0.00 H new ATOM 0 HA MET A 397 11.362 3.474 -2.107 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.681 4.735 -2.805 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.405 4.763 -1.209 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.015 5.797 -3.525 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.697 6.781 -2.921 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.826 6.863 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.281 5.502 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 397 13.068 7.175 -2.968 1.00 0.00 H new ATOM 736 N ILE A 398 9.939 1.063 -2.569 1.00 0.00 N ATOM 737 CA ILE A 398 9.273 -0.162 -2.144 1.00 0.00 C ATOM 738 C ILE A 398 10.089 -0.892 -1.082 1.00 0.00 C ATOM 739 O ILE A 398 11.312 -1.001 -1.190 1.00 0.00 O ATOM 740 CB ILE A 398 9.028 -1.112 -3.330 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.041 -0.486 -4.318 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.512 -2.455 -2.835 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.871 -1.286 -5.590 1.00 0.00 C ATOM 0 H ILE A 398 10.663 0.926 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 398 8.312 0.133 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 398 9.974 -1.277 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.071 -0.380 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.381 0.518 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.344 -3.116 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.247 -2.903 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.575 -2.309 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.158 -0.784 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.832 -1.370 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.501 -2.282 -5.347 1.00 0.00 H new ATOM 755 N HIS A 399 9.406 -1.391 -0.057 1.00 0.00 N ATOM 756 CA HIS A 399 10.068 -2.114 1.023 1.00 0.00 C ATOM 757 C HIS A 399 9.593 -3.561 1.080 1.00 0.00 C ATOM 758 O HIS A 399 8.404 -3.842 0.920 1.00 0.00 O ATOM 759 CB HIS A 399 9.804 -1.425 2.363 1.00 0.00 C ATOM 760 CG HIS A 399 10.909 -1.604 3.357 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.035 -0.810 3.382 1.00 0.00 N ATOM 762 CD2 HIS A 399 11.055 -2.493 4.368 1.00 0.00 C ATOM 763 CE1 HIS A 399 12.827 -1.203 4.363 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.255 -2.223 4.977 1.00 0.00 N ATOM 0 H HIS A 399 8.395 -1.308 0.049 1.00 0.00 H new ATOM 0 HA HIS A 399 11.140 -2.110 0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.651 -0.360 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.879 -1.815 2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.357 -3.270 4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 399 13.780 -0.765 4.620 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.642 -2.728 5.774 1.00 0.00 H new ATOM 772 N ILE A 400 10.528 -4.478 1.307 1.00 0.00 N ATOM 773 CA ILE A 400 10.203 -5.897 1.385 1.00 0.00 C ATOM 774 C ILE A 400 10.845 -6.541 2.609 1.00 0.00 C ATOM 775 O ILE A 400 12.003 -6.957 2.569 1.00 0.00 O ATOM 776 CB ILE A 400 10.664 -6.649 0.123 1.00 0.00 C ATOM 777 CG1 ILE A 400 9.940 -6.108 -1.113 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.416 -8.143 0.276 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.311 -6.824 -2.392 1.00 0.00 C ATOM 0 H ILE A 400 11.516 -4.264 1.440 1.00 0.00 H new ATOM 0 HA ILE A 400 9.118 -5.969 1.466 1.00 0.00 H new ATOM 0 HB ILE A 400 11.734 -6.489 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.864 -6.190 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.166 -5.047 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.747 -8.661 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.972 -8.518 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.351 -8.322 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.760 -6.388 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.381 -6.720 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.059 -7.881 -2.304 1.00 0.00 H new ATOM 791 N TYR A 401 10.084 -6.623 3.694 1.00 0.00 N ATOM 792 CA TYR A 401 10.578 -7.217 4.932 1.00 0.00 C ATOM 793 C TYR A 401 10.927 -8.688 4.728 1.00 0.00 C ATOM 794 O TYR A 401 10.113 -9.470 4.234 1.00 0.00 O ATOM 795 CB TYR A 401 9.534 -7.078 6.041 1.00 0.00 C ATOM 796 CG TYR A 401 8.883 -5.715 6.093 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.835 -5.390 5.241 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.317 -4.750 6.993 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.238 -4.145 5.284 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.725 -3.502 7.045 1.00 0.00 C ATOM 801 CZ TYR A 401 7.686 -3.205 6.188 1.00 0.00 C ATOM 802 OH TYR A 401 7.094 -1.963 6.235 1.00 0.00 O ATOM 0 H TYR A 401 9.123 -6.286 3.742 1.00 0.00 H new ATOM 0 HA TYR A 401 11.483 -6.685 5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.762 -7.835 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.007 -7.282 7.001 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.481 -6.124 4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.132 -4.979 7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.425 -3.909 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.074 -2.764 7.752 1.00 0.00 H new ATOM 0 HH TYR A 401 7.527 -1.420 6.927 1.00 0.00 H new ATOM 812 N LEU A 402 12.144 -9.059 5.112 1.00 0.00 N ATOM 813 CA LEU A 402 12.603 -10.437 4.974 1.00 0.00 C ATOM 814 C LEU A 402 12.782 -11.091 6.340 1.00 0.00 C ATOM 815 O LEU A 402 13.341 -10.491 7.259 1.00 0.00 O ATOM 816 CB LEU A 402 13.921 -10.479 4.199 1.00 0.00 C ATOM 817 CG LEU A 402 13.952 -9.699 2.884 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.348 -9.721 2.283 1.00 0.00 C ATOM 819 CD2 LEU A 402 12.938 -10.267 1.902 1.00 0.00 C ATOM 0 H LEU A 402 12.830 -8.425 5.521 1.00 0.00 H new ATOM 0 HA LEU A 402 11.845 -10.994 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.711 -10.095 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.161 -11.521 3.986 1.00 0.00 H new ATOM 0 HG LEU A 402 13.685 -8.663 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.350 -9.161 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.052 -9.266 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.645 -10.752 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 402 12.974 -9.699 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.174 -11.312 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 402 11.938 -10.198 2.330 1.00 0.00 H new ATOM 831 N ASP A 403 12.306 -12.324 6.467 1.00 0.00 N ATOM 832 CA ASP A 403 12.416 -13.062 7.720 1.00 0.00 C ATOM 833 C ASP A 403 13.871 -13.157 8.169 1.00 0.00 C ATOM 834 O ASP A 403 14.724 -13.665 7.441 1.00 0.00 O ATOM 835 CB ASP A 403 11.824 -14.464 7.565 1.00 0.00 C ATOM 836 CG ASP A 403 11.286 -15.013 8.871 1.00 0.00 C ATOM 837 OD1 ASP A 403 10.546 -14.281 9.562 1.00 0.00 O ATOM 838 OD2 ASP A 403 11.604 -16.175 9.202 1.00 0.00 O ATOM 0 H ASP A 403 11.840 -12.834 5.717 1.00 0.00 H new ATOM 0 HA ASP A 403 11.854 -12.521 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.022 -14.437 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.589 -15.138 7.179 1.00 0.00 H new ATOM 843 N LYS A 404 14.147 -12.663 9.370 1.00 0.00 N ATOM 844 CA LYS A 404 15.498 -12.691 9.917 1.00 0.00 C ATOM 845 C LYS A 404 15.912 -14.115 10.272 1.00 0.00 C ATOM 846 O LYS A 404 17.030 -14.351 10.730 1.00 0.00 O ATOM 847 CB LYS A 404 15.588 -11.800 11.158 1.00 0.00 C ATOM 848 CG LYS A 404 14.903 -12.387 12.380 1.00 0.00 C ATOM 849 CD LYS A 404 15.273 -11.630 13.645 1.00 0.00 C ATOM 850 CE LYS A 404 16.541 -12.186 14.276 1.00 0.00 C ATOM 851 NZ LYS A 404 17.765 -11.704 13.578 1.00 0.00 N ATOM 0 H LYS A 404 13.452 -12.238 9.984 1.00 0.00 H new ATOM 0 HA LYS A 404 16.178 -12.312 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.638 -11.621 11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 404 15.142 -10.831 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 404 13.822 -12.359 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.183 -13.435 12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 404 15.414 -10.575 13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 404 14.453 -11.691 14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 404 16.583 -11.894 15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 404 16.513 -13.275 14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 18.543 -11.617 14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 18.031 -12.382 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 17.577 -10.776 13.148 1.00 0.00 H new ATOM 865 N GLU A 405 15.004 -15.062 10.056 1.00 0.00 N ATOM 866 CA GLU A 405 15.276 -16.464 10.354 1.00 0.00 C ATOM 867 C GLU A 405 15.904 -17.162 9.151 1.00 0.00 C ATOM 868 O GLU A 405 16.798 -17.997 9.300 1.00 0.00 O ATOM 869 CB GLU A 405 13.987 -17.181 10.759 1.00 0.00 C ATOM 870 CG GLU A 405 13.174 -16.431 11.800 1.00 0.00 C ATOM 871 CD GLU A 405 13.590 -16.766 13.220 1.00 0.00 C ATOM 872 OE1 GLU A 405 13.566 -17.962 13.579 1.00 0.00 O ATOM 873 OE2 GLU A 405 13.943 -15.832 13.969 1.00 0.00 O ATOM 0 H GLU A 405 14.074 -14.884 9.676 1.00 0.00 H new ATOM 0 HA GLU A 405 15.981 -16.504 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.373 -17.334 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.237 -18.168 11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 405 13.283 -15.359 11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.118 -16.667 11.670 1.00 0.00 H new ATOM 880 N THR A 406 15.430 -16.816 7.959 1.00 0.00 N ATOM 881 CA THR A 406 15.943 -17.410 6.730 1.00 0.00 C ATOM 882 C THR A 406 16.448 -16.340 5.772 1.00 0.00 C ATOM 883 O THR A 406 17.422 -16.549 5.049 1.00 0.00 O ATOM 884 CB THR A 406 14.864 -18.251 6.021 1.00 0.00 C ATOM 885 OG1 THR A 406 13.768 -17.415 5.633 1.00 0.00 O ATOM 886 CG2 THR A 406 14.363 -19.366 6.927 1.00 0.00 C ATOM 0 H THR A 406 14.691 -16.127 7.818 1.00 0.00 H new ATOM 0 HA THR A 406 16.771 -18.059 7.014 1.00 0.00 H new ATOM 0 HB THR A 406 15.310 -18.700 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.927 -17.818 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.602 -19.946 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 406 15.194 -20.018 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.933 -18.935 7.831 1.00 0.00 H new ATOM 894 N GLY A 407 15.781 -15.189 5.770 1.00 0.00 N ATOM 895 CA GLY A 407 16.179 -14.102 4.895 1.00 0.00 C ATOM 896 C GLY A 407 15.230 -13.921 3.727 1.00 0.00 C ATOM 897 O GLY A 407 15.392 -13.003 2.922 1.00 0.00 O ATOM 0 H GLY A 407 14.972 -14.991 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.225 -13.176 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.183 -14.293 4.517 1.00 0.00 H new ATOM 901 N LYS A 408 14.238 -14.798 3.632 1.00 0.00 N ATOM 902 CA LYS A 408 13.259 -14.732 2.553 1.00 0.00 C ATOM 903 C LYS A 408 12.148 -13.739 2.886 1.00 0.00 C ATOM 904 O LYS A 408 11.837 -13.488 4.051 1.00 0.00 O ATOM 905 CB LYS A 408 12.659 -16.116 2.295 1.00 0.00 C ATOM 906 CG LYS A 408 11.806 -16.632 3.441 1.00 0.00 C ATOM 907 CD LYS A 408 11.700 -18.148 3.417 1.00 0.00 C ATOM 908 CE LYS A 408 10.614 -18.646 4.359 1.00 0.00 C ATOM 909 NZ LYS A 408 9.261 -18.553 3.742 1.00 0.00 N ATOM 0 H LYS A 408 14.090 -15.564 4.289 1.00 0.00 H new ATOM 0 HA LYS A 408 13.770 -14.391 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 408 12.052 -16.077 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.466 -16.824 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.236 -16.311 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 408 10.809 -16.195 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 408 11.484 -18.483 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 408 12.657 -18.585 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 408 10.818 -19.681 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 408 10.635 -18.062 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 8.548 -18.901 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 9.056 -17.562 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 9.233 -19.131 2.878 1.00 0.00 H new ATOM 923 N PRO A 409 11.536 -13.163 1.842 1.00 0.00 N ATOM 924 CA PRO A 409 10.450 -12.191 1.999 1.00 0.00 C ATOM 925 C PRO A 409 9.169 -12.832 2.522 1.00 0.00 C ATOM 926 O PRO A 409 8.373 -13.371 1.752 1.00 0.00 O ATOM 927 CB PRO A 409 10.240 -11.660 0.579 1.00 0.00 C ATOM 928 CG PRO A 409 10.724 -12.754 -0.310 1.00 0.00 C ATOM 929 CD PRO A 409 11.855 -13.416 0.427 1.00 0.00 C ATOM 0 HA PRO A 409 10.698 -11.417 2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.190 -11.433 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.799 -10.739 0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.927 -13.466 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.061 -12.358 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.905 -14.483 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.819 -12.989 0.150 1.00 0.00 H new ATOM 937 N LYS A 410 8.976 -12.773 3.835 1.00 0.00 N ATOM 938 CA LYS A 410 7.791 -13.346 4.462 1.00 0.00 C ATOM 939 C LYS A 410 6.578 -13.229 3.542 1.00 0.00 C ATOM 940 O LYS A 410 5.892 -14.215 3.276 1.00 0.00 O ATOM 941 CB LYS A 410 7.503 -12.647 5.792 1.00 0.00 C ATOM 942 CG LYS A 410 7.739 -11.147 5.755 1.00 0.00 C ATOM 943 CD LYS A 410 8.056 -10.598 7.136 1.00 0.00 C ATOM 944 CE LYS A 410 6.829 -10.611 8.036 1.00 0.00 C ATOM 945 NZ LYS A 410 7.097 -9.962 9.349 1.00 0.00 N ATOM 0 H LYS A 410 9.626 -12.333 4.487 1.00 0.00 H new ATOM 0 HA LYS A 410 7.985 -14.402 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.468 -12.836 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.131 -13.086 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.562 -10.924 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 410 6.855 -10.648 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.849 -11.191 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.432 -9.579 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 410 6.008 -10.096 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.509 -11.640 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 6.237 -9.991 9.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.864 -10.468 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 7.378 -8.972 9.196 1.00 0.00 H new ATOM 959 N GLY A 411 6.322 -12.018 3.058 1.00 0.00 N ATOM 960 CA GLY A 411 5.194 -11.795 2.173 1.00 0.00 C ATOM 961 C GLY A 411 4.659 -10.380 2.260 1.00 0.00 C ATOM 962 O GLY A 411 3.906 -9.940 1.391 1.00 0.00 O ATOM 0 H GLY A 411 6.876 -11.187 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.495 -12.004 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.398 -12.497 2.421 1.00 0.00 H new ATOM 966 N ASP A 412 5.047 -9.666 3.311 1.00 0.00 N ATOM 967 CA ASP A 412 4.600 -8.292 3.509 1.00 0.00 C ATOM 968 C ASP A 412 5.528 -7.312 2.798 1.00 0.00 C ATOM 969 O ASP A 412 6.701 -7.606 2.570 1.00 0.00 O ATOM 970 CB ASP A 412 4.537 -7.964 5.001 1.00 0.00 C ATOM 971 CG ASP A 412 5.903 -7.998 5.659 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.855 -8.492 5.022 1.00 0.00 O ATOM 973 OD2 ASP A 412 6.018 -7.531 6.812 1.00 0.00 O ATOM 0 H ASP A 412 5.670 -10.016 4.039 1.00 0.00 H new ATOM 0 HA ASP A 412 3.602 -8.195 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.097 -6.976 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.879 -8.676 5.499 1.00 0.00 H new ATOM 978 N ALA A 413 4.993 -6.146 2.449 1.00 0.00 N ATOM 979 CA ALA A 413 5.773 -5.123 1.765 1.00 0.00 C ATOM 980 C ALA A 413 5.034 -3.789 1.748 1.00 0.00 C ATOM 981 O ALA A 413 3.859 -3.713 2.109 1.00 0.00 O ATOM 982 CB ALA A 413 6.098 -5.566 0.347 1.00 0.00 C ATOM 0 H ALA A 413 4.023 -5.887 2.629 1.00 0.00 H new ATOM 0 HA ALA A 413 6.705 -4.986 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.681 -4.792 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.674 -6.491 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.172 -5.734 -0.203 1.00 0.00 H new ATOM 988 N THR A 414 5.729 -2.737 1.325 1.00 0.00 N ATOM 989 CA THR A 414 5.138 -1.406 1.263 1.00 0.00 C ATOM 990 C THR A 414 5.565 -0.674 -0.005 1.00 0.00 C ATOM 991 O THR A 414 6.707 -0.795 -0.448 1.00 0.00 O ATOM 992 CB THR A 414 5.532 -0.559 2.488 1.00 0.00 C ATOM 993 OG1 THR A 414 6.849 -0.911 2.925 1.00 0.00 O ATOM 994 CG2 THR A 414 4.543 -0.763 3.627 1.00 0.00 C ATOM 0 H THR A 414 6.701 -2.781 1.020 1.00 0.00 H new ATOM 0 HA THR A 414 4.056 -1.540 1.256 1.00 0.00 H new ATOM 0 HB THR A 414 5.516 0.491 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.092 -0.367 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.841 -0.155 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.546 -0.466 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.532 -1.814 3.916 1.00 0.00 H new ATOM 1002 N VAL A 415 4.641 0.085 -0.584 1.00 0.00 N ATOM 1003 CA VAL A 415 4.923 0.839 -1.800 1.00 0.00 C ATOM 1004 C VAL A 415 4.535 2.305 -1.640 1.00 0.00 C ATOM 1005 O VAL A 415 3.357 2.637 -1.522 1.00 0.00 O ATOM 1006 CB VAL A 415 4.174 0.251 -3.010 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.578 0.968 -4.288 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.434 -1.244 -3.122 1.00 0.00 C ATOM 0 H VAL A 415 3.690 0.194 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 415 5.996 0.767 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 415 3.105 0.400 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 415 4.038 0.539 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.335 2.027 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.650 0.853 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 415 3.897 -1.643 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.502 -1.419 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.089 -1.742 -2.216 1.00 0.00 H new ATOM 1018 N SER A 416 5.537 3.179 -1.638 1.00 0.00 N ATOM 1019 CA SER A 416 5.302 4.610 -1.490 1.00 0.00 C ATOM 1020 C SER A 416 5.052 5.262 -2.845 1.00 0.00 C ATOM 1021 O SER A 416 5.941 5.316 -3.695 1.00 0.00 O ATOM 1022 CB SER A 416 6.497 5.276 -0.804 1.00 0.00 C ATOM 1023 OG SER A 416 6.470 5.055 0.595 1.00 0.00 O ATOM 0 H SER A 416 6.519 2.921 -1.737 1.00 0.00 H new ATOM 0 HA SER A 416 4.415 4.745 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.425 4.882 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.486 6.347 -1.006 1.00 0.00 H new ATOM 0 HG SER A 416 7.245 5.489 1.010 1.00 0.00 H new ATOM 1029 N TYR A 417 3.834 5.757 -3.040 1.00 0.00 N ATOM 1030 CA TYR A 417 3.463 6.405 -4.293 1.00 0.00 C ATOM 1031 C TYR A 417 3.817 7.888 -4.266 1.00 0.00 C ATOM 1032 O TYR A 417 4.123 8.444 -3.211 1.00 0.00 O ATOM 1033 CB TYR A 417 1.967 6.230 -4.559 1.00 0.00 C ATOM 1034 CG TYR A 417 1.605 4.873 -5.117 1.00 0.00 C ATOM 1035 CD1 TYR A 417 1.979 4.507 -6.405 1.00 0.00 C ATOM 1036 CD2 TYR A 417 0.890 3.956 -4.358 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.651 3.268 -6.920 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.557 2.713 -4.864 1.00 0.00 C ATOM 1039 CZ TYR A 417 0.939 2.375 -6.145 1.00 0.00 C ATOM 1040 OH TYR A 417 0.611 1.139 -6.653 1.00 0.00 O ATOM 0 H TYR A 417 3.087 5.722 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 417 4.026 5.931 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.420 6.389 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.638 7.000 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.536 5.204 -7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.589 4.218 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.950 3.000 -7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.001 2.011 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 417 1.037 1.021 -7.528 1.00 0.00 H new ATOM 1050 N GLU A 418 3.771 8.522 -5.433 1.00 0.00 N ATOM 1051 CA GLU A 418 4.087 9.942 -5.542 1.00 0.00 C ATOM 1052 C GLU A 418 3.062 10.787 -4.793 1.00 0.00 C ATOM 1053 O GLU A 418 3.398 11.494 -3.844 1.00 0.00 O ATOM 1054 CB GLU A 418 4.136 10.364 -7.012 1.00 0.00 C ATOM 1055 CG GLU A 418 4.855 9.368 -7.907 1.00 0.00 C ATOM 1056 CD GLU A 418 5.529 10.031 -9.093 1.00 0.00 C ATOM 1057 OE1 GLU A 418 6.294 10.995 -8.878 1.00 0.00 O ATOM 1058 OE2 GLU A 418 5.293 9.587 -10.236 1.00 0.00 O ATOM 0 H GLU A 418 3.519 8.076 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 418 5.066 10.106 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.118 10.499 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.632 11.332 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.602 8.833 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.141 8.627 -8.267 1.00 0.00 H new ATOM 1065 N ASP A 419 1.809 10.709 -5.228 1.00 0.00 N ATOM 1066 CA ASP A 419 0.731 11.466 -4.600 1.00 0.00 C ATOM 1067 C ASP A 419 -0.301 10.530 -3.980 1.00 0.00 C ATOM 1068 O ASP A 419 -0.440 9.371 -4.375 1.00 0.00 O ATOM 1069 CB ASP A 419 0.059 12.382 -5.623 1.00 0.00 C ATOM 1070 CG ASP A 419 1.057 13.037 -6.557 1.00 0.00 C ATOM 1071 OD1 ASP A 419 1.733 13.994 -6.127 1.00 0.00 O ATOM 1072 OD2 ASP A 419 1.160 12.593 -7.721 1.00 0.00 O ATOM 0 H ASP A 419 1.514 10.129 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 419 1.163 12.076 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.657 11.805 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.505 13.154 -5.100 1.00 0.00 H new ATOM 1077 N PRO A 420 -1.043 11.039 -2.986 1.00 0.00 N ATOM 1078 CA PRO A 420 -2.075 10.266 -2.291 1.00 0.00 C ATOM 1079 C PRO A 420 -3.134 9.724 -3.245 1.00 0.00 C ATOM 1080 O PRO A 420 -3.562 8.573 -3.147 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.692 11.283 -1.328 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.656 12.342 -1.179 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.930 12.413 -2.465 1.00 0.00 C ATOM 0 HA PRO A 420 -1.662 9.387 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.621 11.691 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.930 10.825 -0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -2.115 13.301 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.974 12.104 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.379 13.140 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.110 12.707 -2.326 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.569 10.570 -4.190 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.583 10.197 -5.181 1.00 0.00 C ATOM 1093 C PRO A 421 -4.251 8.887 -5.885 1.00 0.00 C ATOM 1094 O PRO A 421 -5.143 8.172 -6.344 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.553 11.361 -6.174 1.00 0.00 C ATOM 1096 CG PRO A 421 -4.029 12.515 -5.391 1.00 0.00 C ATOM 1097 CD PRO A 421 -3.103 11.956 -4.365 1.00 0.00 C ATOM 0 HA PRO A 421 -5.559 10.034 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.912 11.137 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.547 11.570 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.507 13.218 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.844 13.063 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -2.066 11.990 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -3.155 12.516 -3.432 1.00 0.00 H new ATOM 1105 N THR A 422 -2.961 8.575 -5.969 1.00 0.00 N ATOM 1106 CA THR A 422 -2.510 7.351 -6.618 1.00 0.00 C ATOM 1107 C THR A 422 -2.488 6.184 -5.637 1.00 0.00 C ATOM 1108 O THR A 422 -2.871 5.066 -5.980 1.00 0.00 O ATOM 1109 CB THR A 422 -1.106 7.522 -7.227 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.094 8.635 -8.127 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.679 6.262 -7.965 1.00 0.00 C ATOM 0 H THR A 422 -2.210 9.155 -5.595 1.00 0.00 H new ATOM 0 HA THR A 422 -3.220 7.137 -7.417 1.00 0.00 H new ATOM 0 HB THR A 422 -0.402 7.705 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.197 8.738 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.316 6.407 -8.387 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.660 5.422 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.386 6.053 -8.768 1.00 0.00 H new ATOM 1119 N ALA A 423 -2.039 6.453 -4.415 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.970 5.426 -3.384 1.00 0.00 C ATOM 1121 C ALA A 423 -3.350 4.847 -3.092 1.00 0.00 C ATOM 1122 O ALA A 423 -3.553 3.634 -3.157 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.354 5.994 -2.114 1.00 0.00 C ATOM 0 H ALA A 423 -1.718 7.374 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.337 4.619 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.309 5.216 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.347 6.353 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.965 6.821 -1.752 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.296 5.722 -2.768 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.658 5.300 -2.465 1.00 0.00 C ATOM 1131 C LYS A 424 -6.244 4.486 -3.616 1.00 0.00 C ATOM 1132 O LYS A 424 -7.005 3.544 -3.397 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.543 6.517 -2.186 1.00 0.00 C ATOM 1134 CG LYS A 424 -6.093 7.332 -0.986 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.583 8.767 -1.072 1.00 0.00 C ATOM 1136 CE LYS A 424 -8.076 8.865 -0.795 1.00 0.00 C ATOM 1137 NZ LYS A 424 -8.633 10.181 -1.213 1.00 0.00 N ATOM 0 H LYS A 424 -4.144 6.729 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.626 4.671 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.553 7.158 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.567 6.182 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.468 6.873 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -5.005 7.321 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -6.038 9.382 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.369 9.167 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -8.596 8.066 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -8.258 8.715 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -9.652 10.208 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -8.154 10.942 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -8.482 10.314 -2.233 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.883 4.856 -4.840 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.369 4.158 -6.023 1.00 0.00 C ATOM 1153 C ALA A 425 -5.630 2.841 -6.227 1.00 0.00 C ATOM 1154 O ALA A 425 -6.201 1.866 -6.715 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.225 5.043 -7.254 1.00 0.00 C ATOM 0 H ALA A 425 -5.256 5.635 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.425 3.931 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.592 4.509 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.805 5.956 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.175 5.298 -7.398 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.355 2.818 -5.851 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.538 1.620 -5.991 1.00 0.00 C ATOM 1163 C ALA A 426 -3.970 0.542 -5.002 1.00 0.00 C ATOM 1164 O ALA A 426 -3.868 -0.651 -5.285 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.067 1.958 -5.798 1.00 0.00 C ATOM 0 H ALA A 426 -3.866 3.617 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.680 1.229 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.469 1.053 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.760 2.687 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.917 2.376 -4.803 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.451 0.971 -3.839 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.899 0.043 -2.808 1.00 0.00 C ATOM 1173 C VAL A 427 -6.005 -0.867 -3.330 1.00 0.00 C ATOM 1174 O VAL A 427 -5.832 -2.082 -3.420 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.410 0.791 -1.563 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -5.887 -0.193 -0.507 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.325 1.700 -1.005 1.00 0.00 C ATOM 0 H VAL A 427 -4.540 1.956 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.036 -0.562 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.257 1.411 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.244 0.354 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.698 -0.798 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.061 -0.842 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.703 2.221 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.457 1.102 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.036 2.429 -1.762 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.142 -0.270 -3.675 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.277 -1.028 -4.188 1.00 0.00 C ATOM 1189 C GLU A 428 -7.941 -1.669 -5.532 1.00 0.00 C ATOM 1190 O GLU A 428 -8.687 -2.508 -6.035 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.500 -0.120 -4.336 1.00 0.00 C ATOM 1192 CG GLU A 428 -9.976 0.479 -3.023 1.00 0.00 C ATOM 1193 CD GLU A 428 -10.991 -0.398 -2.317 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -11.613 -1.247 -2.988 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -11.164 -0.234 -1.090 1.00 0.00 O ATOM 0 H GLU A 428 -7.301 0.735 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.505 -1.820 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.261 0.687 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.314 -0.691 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.119 0.637 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -10.416 1.458 -3.213 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.813 -1.266 -6.106 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.377 -1.801 -7.391 1.00 0.00 C ATOM 1204 C TRP A 429 -5.708 -3.159 -7.218 1.00 0.00 C ATOM 1205 O TRP A 429 -6.121 -4.148 -7.825 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.413 -0.827 -8.071 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.712 -1.416 -9.258 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -3.903 -2.516 -9.268 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.757 -0.935 -10.605 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.442 -2.748 -10.542 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -3.952 -1.793 -11.380 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.401 0.135 -11.234 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.775 -1.610 -12.750 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.224 0.314 -12.592 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.416 -0.555 -13.339 1.00 0.00 C ATOM 0 H TRP A 429 -6.184 -0.571 -5.703 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.258 -1.929 -8.020 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -5.965 0.058 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.669 -0.497 -7.346 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.661 -3.115 -8.403 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.821 -3.508 -10.818 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.026 0.810 -10.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.153 -2.278 -13.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.717 1.138 -13.087 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.298 -0.388 -14.399 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.673 -3.202 -6.385 1.00 0.00 N ATOM 1227 CA PHE A 430 -3.946 -4.441 -6.133 1.00 0.00 C ATOM 1228 C PHE A 430 -4.586 -5.223 -4.989 1.00 0.00 C ATOM 1229 O PHE A 430 -4.349 -6.422 -4.834 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.483 -4.141 -5.803 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.763 -3.399 -6.894 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.276 -4.072 -8.002 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.573 -2.030 -6.809 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.613 -3.392 -9.008 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -0.912 -1.345 -7.811 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.430 -2.027 -8.911 1.00 0.00 C ATOM 0 H PHE A 430 -4.319 -2.394 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 430 -3.990 -5.049 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.439 -3.555 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -1.963 -5.079 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.415 -5.140 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -1.946 -1.492 -5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.239 -3.928 -9.868 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.772 -0.277 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 430 0.089 -1.494 -9.694 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.398 -4.537 -4.193 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.073 -5.166 -3.063 1.00 0.00 C ATOM 1248 C ASP A 431 -6.867 -6.388 -3.516 1.00 0.00 C ATOM 1249 O ASP A 431 -7.999 -6.267 -3.981 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.002 -4.166 -2.375 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.103 -4.846 -1.586 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -7.801 -5.418 -0.518 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.267 -4.804 -2.037 1.00 0.00 O ATOM 0 H ASP A 431 -5.605 -3.545 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.313 -5.491 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.418 -3.533 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.447 -3.513 -3.125 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.263 -7.564 -3.379 1.00 0.00 N ATOM 1259 CA GLY A 432 -6.927 -8.791 -3.780 1.00 0.00 C ATOM 1260 C GLY A 432 -6.374 -9.354 -5.074 1.00 0.00 C ATOM 1261 O GLY A 432 -7.010 -10.188 -5.719 1.00 0.00 O ATOM 0 H GLY A 432 -5.325 -7.689 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.820 -9.534 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -7.994 -8.602 -3.897 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.187 -8.896 -5.456 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.547 -9.358 -6.682 1.00 0.00 C ATOM 1267 C LYS A 433 -3.939 -10.744 -6.490 1.00 0.00 C ATOM 1268 O LYS A 433 -3.870 -11.251 -5.370 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.463 -8.370 -7.120 1.00 0.00 C ATOM 1270 CG LYS A 433 -3.976 -7.272 -8.035 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.321 -7.809 -9.413 1.00 0.00 C ATOM 1272 CE LYS A 433 -5.168 -6.822 -10.201 1.00 0.00 C ATOM 1273 NZ LYS A 433 -6.617 -6.956 -9.880 1.00 0.00 N ATOM 0 H LYS A 433 -4.648 -8.205 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.309 -9.419 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.018 -7.916 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.670 -8.916 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.859 -6.811 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.221 -6.491 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.404 -8.022 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -4.858 -8.752 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.840 -5.806 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -5.016 -6.983 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -7.161 -6.267 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -6.936 -7.918 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -6.766 -6.777 -8.866 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.497 -11.349 -7.587 1.00 0.00 N ATOM 1288 CA ASP A 434 -2.892 -12.674 -7.538 1.00 0.00 C ATOM 1289 C ASP A 434 -1.428 -12.620 -7.964 1.00 0.00 C ATOM 1290 O ASP A 434 -1.119 -12.388 -9.133 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.662 -13.643 -8.436 1.00 0.00 C ATOM 1292 CG ASP A 434 -3.304 -13.483 -9.901 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -3.610 -12.415 -10.473 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -2.718 -14.424 -10.474 1.00 0.00 O ATOM 0 H ASP A 434 -3.547 -10.942 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 434 -2.939 -13.029 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -3.454 -14.666 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -4.732 -13.481 -8.307 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.530 -12.834 -7.007 1.00 0.00 N ATOM 1300 CA PHE A 435 0.901 -12.807 -7.283 1.00 0.00 C ATOM 1301 C PHE A 435 1.516 -14.192 -7.103 1.00 0.00 C ATOM 1302 O PHE A 435 1.677 -14.669 -5.980 1.00 0.00 O ATOM 1303 CB PHE A 435 1.600 -11.804 -6.364 1.00 0.00 C ATOM 1304 CG PHE A 435 2.823 -11.181 -6.975 1.00 0.00 C ATOM 1305 CD1 PHE A 435 4.003 -11.899 -7.081 1.00 0.00 C ATOM 1306 CD2 PHE A 435 2.792 -9.877 -7.444 1.00 0.00 C ATOM 1307 CE1 PHE A 435 5.130 -11.330 -7.643 1.00 0.00 C ATOM 1308 CE2 PHE A 435 3.916 -9.303 -8.007 1.00 0.00 C ATOM 1309 CZ PHE A 435 5.086 -10.029 -8.107 1.00 0.00 C ATOM 0 H PHE A 435 -0.769 -13.028 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 435 1.040 -12.499 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 435 0.896 -11.016 -6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.882 -12.307 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 435 4.043 -12.916 -6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 435 1.880 -9.304 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 435 6.044 -11.901 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 435 3.879 -8.286 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 435 5.965 -9.581 -8.547 1.00 0.00 H new ATOM 1319 N GLN A 436 1.855 -14.831 -8.217 1.00 0.00 N ATOM 1320 CA GLN A 436 2.451 -16.162 -8.183 1.00 0.00 C ATOM 1321 C GLN A 436 1.493 -17.172 -7.559 1.00 0.00 C ATOM 1322 O GLN A 436 1.917 -18.187 -7.010 1.00 0.00 O ATOM 1323 CB GLN A 436 3.765 -16.136 -7.398 1.00 0.00 C ATOM 1324 CG GLN A 436 4.926 -15.538 -8.176 1.00 0.00 C ATOM 1325 CD GLN A 436 6.238 -15.622 -7.421 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.557 -16.647 -6.819 1.00 0.00 O ATOM 1327 NE2 GLN A 436 7.007 -14.540 -7.449 1.00 0.00 N ATOM 0 H GLN A 436 1.728 -14.449 -9.154 1.00 0.00 H new ATOM 0 HA GLN A 436 2.655 -16.467 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.620 -15.564 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 436 4.022 -17.153 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 436 5.026 -16.057 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.708 -14.494 -8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.703 -13.712 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.901 -14.537 -6.959 1.00 0.00 H new ATOM 1336 N GLY A 437 0.198 -16.883 -7.650 1.00 0.00 N ATOM 1337 CA GLY A 437 -0.801 -17.776 -7.089 1.00 0.00 C ATOM 1338 C GLY A 437 -1.190 -17.396 -5.675 1.00 0.00 C ATOM 1339 O GLY A 437 -2.102 -17.986 -5.094 1.00 0.00 O ATOM 0 H GLY A 437 -0.177 -16.049 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -1.689 -17.766 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.416 -18.796 -7.095 1.00 0.00 H new ATOM 1343 N SER A 438 -0.496 -16.408 -5.117 1.00 0.00 N ATOM 1344 CA SER A 438 -0.771 -15.953 -3.759 1.00 0.00 C ATOM 1345 C SER A 438 -1.514 -14.621 -3.772 1.00 0.00 C ATOM 1346 O SER A 438 -1.097 -13.671 -4.436 1.00 0.00 O ATOM 1347 CB SER A 438 0.533 -15.816 -2.971 1.00 0.00 C ATOM 1348 OG SER A 438 1.049 -17.087 -2.614 1.00 0.00 O ATOM 0 H SER A 438 0.260 -15.908 -5.584 1.00 0.00 H new ATOM 0 HA SER A 438 -1.404 -16.696 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 438 1.268 -15.276 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 438 0.358 -15.225 -2.072 1.00 0.00 H new ATOM 0 HG SER A 438 1.883 -16.972 -2.113 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.616 -14.558 -3.033 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.418 -13.342 -2.957 1.00 0.00 C ATOM 1356 C LYS A 439 -2.690 -12.259 -2.167 1.00 0.00 C ATOM 1357 O LYS A 439 -2.087 -12.533 -1.129 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.771 -13.639 -2.309 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.868 -12.669 -2.715 1.00 0.00 C ATOM 1360 CD LYS A 439 -7.235 -13.329 -2.685 1.00 0.00 C ATOM 1361 CE LYS A 439 -7.824 -13.328 -1.282 1.00 0.00 C ATOM 1362 NZ LYS A 439 -9.204 -13.890 -1.258 1.00 0.00 N ATOM 0 H LYS A 439 -2.975 -15.335 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.580 -12.979 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -5.077 -14.651 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.658 -13.614 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -5.863 -11.811 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -5.668 -12.291 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -7.908 -12.805 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -7.153 -14.354 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -7.184 -13.910 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -7.840 -12.309 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -9.569 -13.872 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -9.822 -13.320 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -9.185 -14.871 -1.602 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.753 -11.028 -2.664 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.102 -9.903 -2.003 1.00 0.00 C ATOM 1378 C LEU A 440 -3.121 -9.040 -1.266 1.00 0.00 C ATOM 1379 O LEU A 440 -4.283 -8.958 -1.663 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.342 -9.056 -3.026 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.427 -9.819 -3.983 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.515 -8.864 -4.698 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.359 -10.885 -3.233 1.00 0.00 C ATOM 0 H LEU A 440 -3.248 -10.784 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.396 -10.300 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -2.068 -8.498 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.741 -8.324 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.047 -10.312 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 440 1.158 -9.426 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 440 -0.066 -8.139 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.129 -8.341 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 440 1.005 -11.418 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.968 -10.413 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.333 -11.588 -2.769 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.676 -8.395 -0.192 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.547 -7.533 0.598 1.00 0.00 C ATOM 1397 C LYS A 441 -2.971 -6.125 0.703 1.00 0.00 C ATOM 1398 O LYS A 441 -2.077 -5.868 1.509 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.745 -8.120 1.998 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.493 -9.442 2.003 1.00 0.00 C ATOM 1401 CD LYS A 441 -5.286 -9.628 3.285 1.00 0.00 C ATOM 1402 CE LYS A 441 -5.558 -11.099 3.564 1.00 0.00 C ATOM 1403 NZ LYS A 441 -5.816 -11.352 5.008 1.00 0.00 N ATOM 0 H LYS A 441 -1.717 -8.453 0.151 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.512 -7.474 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -2.770 -8.262 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.290 -7.402 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.167 -9.483 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -3.785 -10.263 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -4.737 -9.194 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -6.231 -9.090 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -6.417 -11.427 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -4.705 -11.694 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -5.997 -12.365 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -4.986 -11.063 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -6.646 -10.804 5.314 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.490 -5.215 -0.116 1.00 0.00 N ATOM 1418 CA VAL A 442 -3.028 -3.833 -0.114 1.00 0.00 C ATOM 1419 C VAL A 442 -3.911 -2.960 0.772 1.00 0.00 C ATOM 1420 O VAL A 442 -5.134 -2.955 0.635 1.00 0.00 O ATOM 1421 CB VAL A 442 -3.009 -3.245 -1.538 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.310 -1.894 -1.548 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.338 -4.211 -2.503 1.00 0.00 C ATOM 0 H VAL A 442 -4.231 -5.411 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.013 -3.839 0.282 1.00 0.00 H new ATOM 0 HB VAL A 442 -4.038 -3.096 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.306 -1.494 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.839 -1.206 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.284 -2.013 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.333 -3.780 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.313 -4.393 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.887 -5.153 -2.516 1.00 0.00 H new ATOM 1433 N SER A 443 -3.282 -2.223 1.682 1.00 0.00 N ATOM 1434 CA SER A 443 -4.010 -1.349 2.594 1.00 0.00 C ATOM 1435 C SER A 443 -3.196 -0.097 2.912 1.00 0.00 C ATOM 1436 O SER A 443 -2.050 -0.184 3.355 1.00 0.00 O ATOM 1437 CB SER A 443 -4.349 -2.094 3.887 1.00 0.00 C ATOM 1438 OG SER A 443 -3.176 -2.392 4.626 1.00 0.00 O ATOM 0 H SER A 443 -2.270 -2.214 1.807 1.00 0.00 H new ATOM 0 HA SER A 443 -4.936 -1.045 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 443 -5.021 -1.488 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.878 -3.017 3.651 1.00 0.00 H new ATOM 0 HG SER A 443 -3.419 -2.866 5.448 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.797 1.065 2.684 1.00 0.00 N ATOM 1445 CA LEU A 444 -3.130 2.335 2.945 1.00 0.00 C ATOM 1446 C LEU A 444 -2.294 2.259 4.220 1.00 0.00 C ATOM 1447 O LEU A 444 -2.825 2.332 5.327 1.00 0.00 O ATOM 1448 CB LEU A 444 -4.161 3.460 3.065 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.696 4.022 1.747 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.664 5.165 2.009 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.550 4.484 0.860 1.00 0.00 C ATOM 0 H LEU A 444 -4.745 1.154 2.319 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.465 2.547 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -5.004 3.092 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.714 4.277 3.631 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.234 3.229 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -6.035 5.553 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.502 4.803 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -5.151 5.960 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.949 4.881 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.984 5.262 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.894 3.641 0.644 1.00 0.00 H new